(E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-5-ethoxy-4-methoxy-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-5-ethoxy-4-methoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-5-ethoxy-4-methoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-5-ethoxy-4-methoxy-phenyl)pent-4-enoic acid Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C21H20ClNO4S/c1-3-27-17-12-13(11-15(22)20(17)26-2)10-14(8-9-19(24)25)21-23-16-6-4-5-7-18(16)28-21/h4-7,10-12H,3,8-9H2,1-2H3,(H,24,25)/b14-10+